5-methyl-N-(pyrrolidin-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide

C9H15N5O — CID 80564288

IUPAC5-methyl-N-(pyrrolidin-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NCC2CCNC2)n[nH]1
InChIInChI=1S/C9H15N5O/c1-6-12-8(14-13-6)9(15)11-5-7-2-3-10-4-7/h7,10H,2-5H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyJCKYUJPQRQICAO-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.55
Rot. Bonds3

About 5-methyl-N-(pyrrolidin-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide

5-methyl-N-(pyrrolidin-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 80564288) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-methyl-N-(pyrrolidin-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(pyrrolidin-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID80564288
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name5-methyl-N-(pyrrolidin-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NCC2CCNC2)n[nH]1
InChIInChI=1S/C9H15N5O/c1-6-12-8(14-13-6)9(15)11-5-7-2-3-10-4-7/h7,10H,2-5H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyJCKYUJPQRQICAO-UHFFFAOYSA-N
XLogP-0.55
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
CID 80564489
2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271836
2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564265
1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea
CID 59006471
2,2-dimethyl-N-(pyrrolidin-3-ylmethyl)propanamide
CID 58790353
4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564144
3-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 71638244
5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 106137470
5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 58748328
4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271837
N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide
CID 80564611
2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 172876281

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(pyrrolidin-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(pyrrolidin-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide (CID 80564288) is 5-methyl-N-(pyrrolidin-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(pyrrolidin-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(pyrrolidin-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)NCC2CCNC2)n[nH]1.
What is the InChIKey of 5-methyl-N-(pyrrolidin-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is JCKYUJPQRQICAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-6-12-8(14-13-6)9(15)11-5-7-2-3-10-4-7/h7,10H,2-5H2,1H3,(H,11,15)(H,12,13,14).
What are the key properties of 5-methyl-N-(pyrrolidin-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
5-methyl-N-(pyrrolidin-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(pyrrolidin-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 80564288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).